CID 543695
Aziridine, compd with 2,4,5-trichlorophenyl acrylate
Structural Information
- Molecular Formula
- C9H5Cl3O2
- SMILES
- C=CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
- InChI
- InChI=1S/C9H5Cl3O2/c1-2-9(13)14-8-4-6(11)5(10)3-7(8)12/h2-4H,1H2
- InChIKey
- WPRNUAVQZCFEOA-UHFFFAOYSA-N
- Compound name
- (2,4,5-trichlorophenyl) prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.94280 | 143.4 |
[M+Na]+ | 272.92474 | 154.9 |
[M-H]- | 248.92824 | 146.1 |
[M+NH4]+ | 267.96934 | 162.4 |
[M+K]+ | 288.89868 | 149.0 |
[M+H-H2O]+ | 232.93278 | 140.8 |
[M+HCOO]- | 294.93372 | 152.7 |
[M+CH3COO]- | 308.94937 | 191.2 |
[M+Na-2H]- | 270.91019 | 146.2 |
[M]+ | 249.93497 | 148.2 |
[M]- | 249.93607 | 148.2 |